[QE-users] cholesky Error

[Amin Mirzai]

Dear Developers and Users,


I have been trying to vc-relax a crystal, but every time I have encountered with the following error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  cdiaghg (251):
      problems computing cholesky
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I get this error even if I decrease the k-points to its minimum, and decrease the the cutoff energy to a ridiculously low value. I have to add I get this error for all major PPs.
So, I would really appreciate if somebody could give me any hint regarding this issue. In the meantime, I have attached the input file to this e-mail.


With kind regards,


Amin Mirzai,

PhD candidate

Dept. of Maskinteknologi,

Lund University,

P.O. Box 118,
SE-221 00 Lund,
Sweden

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